Chemical Properties of 2-Bromobenzyl alcohol, n-propyl ether

InChI

InChI=1S/C10H13BrO/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3

InChI Key

IRTWJYFVQHZLHQ-UHFFFAOYSA-N

Formula

C10H13BrO

SMILES

CCCOCc1ccccc1Br

Molecular Weight¹

229.11

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.78	kJ/mol	Joback Calculated Property
logPoct/wat	3.376		Crippen Calculated Property
McVol	151.370	ml/mol	McGowan Calculated Property
Inp	[1426.00; 1426.00]
Inp	1426.00		NIST
Inp	1426.00		NIST
Tboil	523.91	K	Relay (1.0) Calculated Property
Tfus	224.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.30; 441.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.88300e+00
Coefficient B			7.90420e-01
Coefficient C			-4.44760e-04
Coefficient D			8.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.30	J/mol×K	273.00	Calculated Property
Cp,gas	235.73	J/mol×K	353.78	Calculated Property
Cp,gas	274.57	J/mol×K	434.56	Calculated Property
Cp,gas	309.10	J/mol×K	515.33	Calculated Property
Cp,gas	339.59	J/mol×K	596.11	Calculated Property
Cp,gas	366.33	J/mol×K	676.89	Calculated Property
Cp,gas	389.58	J/mol×K	757.67	Calculated Property
Cp,gas	409.64	J/mol×K	838.44	Calculated Property
Cp,gas	426.76	J/mol×K	919.22	Calculated Property
Cp,gas	441.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016322; 0.0002161]	Pa×s	[323.43; 537.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14918e+01
Coefficient B			1.64107e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			323.43
Temperature range, max.			537.67
η	0.0016322	Pa×s	323.43	Calculated Property
η	0.0011527	Pa×s	347.23	Calculated Property
η	0.0008512	Pa×s	371.04	Calculated Property
η	0.0006520	Pa×s	394.84	Calculated Property
η	0.0005147	Pa×s	418.65	Calculated Property
η	0.0004169	Pa×s	442.45	Calculated Property
η	0.0003450	Pa×s	466.26	Calculated Property
η	0.0002907	Pa×s	490.06	Calculated Property
η	0.0002490	Pa×s	513.87	Calculated Property
η	0.0002161	Pa×s	537.67	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromobenzyl alcohol, n-propyl ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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